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Receptor
PDB id Resolution Class Description Source Keywords
5X1V 2.1 Å EC: 2.7.1.40 PKM2 IN COMPLEX WITH COMPOUND 2 HOMO SAPIENS ACTIVATOR COMPLEX TRANSFERASE
Ref.: DISCOVERY AND STRUCTURE-GUIDED FRAGMENT-LINKING OF 4-(2,3-DICHLOROBENZOYL)-1-METHYL-PYRROLE-2-CARBOXAM PYRUVATE KINASE M2 ACTIVATOR BIOORG. MED. CHEM. V. 25 3540 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
7XX D:602;
C:602;
B:602;
A:602;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
297.137 C13 H10 Cl2 N2 O2 Cn1cc...
FBP A:601;
D:601;
C:601;
B:601;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
340.116 C6 H14 O12 P2 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2G50 1.65 Å EC: 2.7.1.40 THE LOCATION OF THE ALLOSTERIC AMINO ACID BINDING SITE OF MU PYRUVATE KINASE. ORYCTOLAGUS CUNICULUS ALLOSTERY PYRUVATE KINASE GLYCOLYSIS KINASE PHOSPHORYL TTRANSFERASE
Ref.: DIFFERENTIATING A LIGAND'S CHEMICAL REQUIREMENTS FO ALLOSTERIC INTERACTIONS FROM THOSE FOR PROTEIN BIND PHENYLALANINE INHIBITION OF PYRUVATE KINASE. BIOCHEMISTRY V. 45 5421 2006
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3BJF - FBP C6 H14 O12 P2 C([C@@H]1[....
2 6B6U - OXL C2 O4 C(=O)(C(=O....
3 4QG8 - MLI C3 H2 O4 C(C(=O)[O-....
4 4JPG - 1OX C16 H12 N4 O c1ccc2c(c1....
5 4G1N - NZT C24 H22 N6 O3 S c1cc2cccnc....
6 1A49 - OXL C2 O4 C(=O)(C(=O....
7 2G50 - PYR C3 H4 O3 CC(=O)C(=O....
8 6GG4 - PHE C9 H11 N O2 c1ccc(cc1)....
9 5X1V - FBP C6 H14 O12 P2 C([C@@H]1[....
10 3N25 - PRO C5 H9 N O2 C1C[C@H](N....
11 1A5U - OXL C2 O4 C(=O)(C(=O....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3BJF - FBP C6 H14 O12 P2 C([C@@H]1[....
2 6B6U - OXL C2 O4 C(=O)(C(=O....
3 4QG8 - MLI C3 H2 O4 C(C(=O)[O-....
4 4JPG - 1OX C16 H12 N4 O c1ccc2c(c1....
5 4G1N - NZT C24 H22 N6 O3 S c1cc2cccnc....
6 1A49 - OXL C2 O4 C(=O)(C(=O....
7 2G50 - PYR C3 H4 O3 CC(=O)C(=O....
8 6GG4 - PHE C9 H11 N O2 c1ccc(cc1)....
9 5X1V - FBP C6 H14 O12 P2 C([C@@H]1[....
10 3N25 - PRO C5 H9 N O2 C1C[C@H](N....
11 1A5U - OXL C2 O4 C(=O)(C(=O....
12 4IP7 - FBP C6 H14 O12 P2 C([C@@H]1[....
13 4IMA - FLC C6 H5 O7 C(C(=O)[O-....
50% Homology Family (26)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5WSC - G6P C6 H13 O9 P C([C@@H]1[....
2 5WSB - G6P C6 H13 O9 P C([C@@H]1[....
3 5WS9 - OXL C2 O4 C(=O)(C(=O....
4 3BJF - FBP C6 H14 O12 P2 C([C@@H]1[....
5 6B6U - OXL C2 O4 C(=O)(C(=O....
6 4QG8 - MLI C3 H2 O4 C(C(=O)[O-....
7 4JPG - 1OX C16 H12 N4 O c1ccc2c(c1....
8 4G1N - NZT C24 H22 N6 O3 S c1cc2cccnc....
9 1A49 - OXL C2 O4 C(=O)(C(=O....
10 2G50 - PYR C3 H4 O3 CC(=O)C(=O....
11 6GG4 - PHE C9 H11 N O2 c1ccc(cc1)....
12 5X1V - FBP C6 H14 O12 P2 C([C@@H]1[....
13 3N25 - PRO C5 H9 N O2 C1C[C@H](N....
14 1A5U - OXL C2 O4 C(=O)(C(=O....
15 3QV9 - QV7 C22 H16 N4 O13 S4 c1cc(ccc1/....
16 3HQP - FDP C6 H14 O12 P2 C([C@@H]1[....
17 3QV8 - S62 C7 H5 N O6 S3 c1cc2c(cc1....
18 3PP7 - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
19 4IP7 - FBP C6 H14 O12 P2 C([C@@H]1[....
20 4IMA - FLC C6 H5 O7 C(C(=O)[O-....
21 4KCV - FDP C6 H14 O12 P2 C([C@@H]1[....
22 4KCT - PYR C3 H4 O3 CC(=O)C(=O....
23 4HYW - FDP C6 H14 O12 P2 C([C@@H]1[....
24 4KCU - MLT C4 H6 O5 C([C@H](C(....
25 4HYV - PEP C3 H5 O6 P C=C(C(=O)O....
26 4KCW - OXL C2 O4 C(=O)(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 7XX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 7XX 1 1
Ligand no: 2; Ligand: FBP; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 AFP 1 1
2 FBP 1 1
3 F1X 0.744186 0.954545
4 TA6 0.666667 0.954545
5 F6P 0.666667 0.954545
6 FDP 0.462963 0.954545
7 OI7 0.448276 0.976744
8 F1P 0.418182 0.847826
9 AHG 0.404255 0.930233
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2G50; Ligand: ALA; Similar sites found with APoc: 34
This union binding pocket(no: 1) in the query (biounit: 2g50.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1QPG MAP 1.68675
2 1QDS PGA 1.99203
3 4EI7 GDP 2.05656
4 1P4A PCP 2.45614
5 1HYH NAD 2.589
6 3WGT FAD 2.59366
7 1RYI FAD 2.6178
8 1RYI GOA 2.6178
9 5NNS AKR 2.66667
10 1FLJ GSH 2.69231
11 2FXV 5GP 3.09278
12 5AE2 FAD 3.20755
13 5FPE 3TR 3.87597
14 1ON3 DXX 4.39771
15 5H4S RAM 4.57746
16 3HRD FAD 4.70588
17 2EC9 24X 4.92958
18 5CSS G3P 5.30973
19 3F4F UMP 5.38922
20 5CIC 51R 5.55556
21 5NGZ 2BG 5.58376
22 1SW0 PGA 5.64516
23 5NC1 NAG 5.90717
24 3MKH FAD 5.93607
25 5Y6Q FAD 6.60377
26 4DG8 AMP 6.79245
27 4OUJ LBT 7.16612
28 3COW 52H 7.6412
29 4JEJ 1GP 9.83607
30 1Q5H DUD 10.2041
31 1LC3 NAD 10.8844
32 2GAG FAD 11.1111
33 1VLH PNS 13.2948
34 2YPI PGA 19.8381
Pocket No.: 2; Query (leader) PDB : 2G50; Ligand: ALA; Similar sites found with APoc: 21
This union binding pocket(no: 2) in the query (biounit: 2g50.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2H7C SIA 0.943396
2 1D4D FAD 3.01887
3 5JBX MLI 3.06513
4 3N7O N7O 3.09735
5 3AB1 FAD 3.61111
6 4GA6 AMP 3.7037
7 5JCA FAD 4.22535
8 6ER9 NAP 4.33962
9 6ER9 FAD 4.33962
10 5FAH 5VT 5.35714
11 2B7D C1B 5.50459
12 2J5B TYE 5.74713
13 3HP8 SUC 6.36364
14 5ZYN FAD 6.58174
15 1Z2A GDP 7.7381
16 1U7Z PMT 8.84956
17 2VJ8 HA2 9.24528
18 2YY7 NAD 9.9359
19 1NU4 MLA 14.433
20 3RFV 15L 15.3558
21 3RFV NAI 15.3558
Pocket No.: 3; Query (leader) PDB : 2G50; Ligand: ALA; Similar sites found with APoc: 28
This union binding pocket(no: 3) in the query (biounit: 2g50.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1JIL 485 1.66667
2 5HM3 649 2.07547
3 1VP5 NAP 2.34899
4 4OXI GAP 2.83019
5 5BSH PRO 2.88809
6 1GJC 130 3.16206
7 4D86 ADP 3.37349
8 4XQC NAD 3.57895
9 3B82 NAD 3.96226
10 1ZX5 LFR 4
11 2VNI A2P 4.04412
12 2VNI FAD 4.04412
13 2J9C ATP 4.20168
14 4OOP DUP 4.21687
15 4R0M FA5 4.33962
16 4R4U COA 4.84429
17 2Z49 AMG 5.09259
18 5M3E APR 6.06061
19 5A89 ADP 6.41026
20 5A89 FMN 6.41026
21 4PVR ASP 7.09677
22 5JE8 NAD 7.28477
23 3UW4 MAA CHG PRO 0DQ 7.6087
24 1SJN DUP 7.64706
25 1USF NAP 8.98876
26 1USF FMN 8.98876
27 4LO2 GAL BGC 10.1351
28 1UYY BGC BGC 14.5038
Pocket No.: 4; Query (leader) PDB : 2G50; Ligand: PYR; Similar sites found with APoc: 134
This union binding pocket(no: 4) in the query (biounit: 2g50.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4CDN FO1 1.24481
2 6C6O ENG 1.50943
3 5GXU FAD 1.50943
4 12AS AMP 1.51515
5 2NP9 YE1 1.59091
6 3H22 B53 1.6835
7 3CV2 OXL 1.69811
8 6CLV 6MB 1.71821
9 1P7T PYR 1.88679
10 1D8C GLV 1.88679
11 1UAS GLA 1.9337
12 1KKR 2AS 1.93705
13 3CQD ATP 1.94175
14 1EE0 CAA 1.99005
15 5CEO 50D 2
16 2D4V NAD 2.0979
17 5YSQ INS 2.0979
18 5H2U 1N1 2.24719
19 2Y7G AAE 2.26415
20 1DQS NAD 2.29008
21 2QZ4 ADP 2.29008
22 1D6H COA 2.32558
23 1JQN DCO 2.45283
24 4C5N ACP 2.53623
25 6FKW PQQ 2.64151
26 5FM0 WAQ 2.69231
27 1XG4 ICT 2.71186
28 4I42 1HA 2.80702
29 5UFC DR2 2.82258
30 3KFL ME8 2.83019
31 4FL0 PLP 2.85088
32 1PVN MZP 2.92553
33 3HAZ FAD 3.01887
34 1RP7 TZD 3.01887
35 5NNA BZM 3.0303
36 2GJN FMN 3.04878
37 2GJN NIS 3.04878
38 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 3.19635
39 4HKP TKW 3.20513
40 4HKP 16B 3.20513
41 2Q28 ADP 3.20755
42 1G51 AMO 3.20755
43 3BOF HCS 3.20755
44 3BF1 PAU 3.21285
45 3BF1 ADP 3.21285
46 5ULJ 0WD 3.2419
47 4K38 SAM 3.24324
48 4NBT NAD 3.33333
49 1DBT U5P 3.34728
50 1DQX BMP 3.37079
51 1XKD NAP 3.44828
52 2E5A LAQ 3.45821
53 3ZXR P3S 3.49794
54 3ZXR IQ1 3.49794
55 3MI2 PFU 3.58423
56 5XET ME8 3.59168
57 5HIP 61O 3.63036
58 2XZ9 PYR 3.7037
59 5WX3 COA 3.77358
60 1F0X FAD 3.77358
61 2CWH PYC 3.79009
62 1TKK ALA GLU 3.82514
63 1U1I NAD 3.82653
64 1KC7 PPR 3.96226
65 4D52 GIV 4.12698
66 1EWF PC1 4.16667
67 2J9D ADP 4.20168
68 1C9K 5GP 4.44444
69 5N5U AMP 4.4586
70 2X1L ADN 4.5283
71 3A1C ACP 4.52962
72 4L80 OXL 4.5977
73 1N2X SAM 4.65116
74 2XBK XBK 4.70297
75 2RL1 UD1 4.71698
76 6BXL SAM 4.7619
77 1EIX BMQ 4.89796
78 1N07 ADP 4.90798
79 1FDJ 2FP 4.95868
80 1QS0 TDP 5.02959
81 1ICP FMN 5.05319
82 4B2Z P5S 5.13393
83 3LF0 ATP 5.26316
84 2AK3 AMP 5.30973
85 2FLI DX5 5.45455
86 3DJF BC3 5.57491
87 5C8W PCG 5.59441
88 5W8Q BU4 5.64103
89 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 5.65217
90 2D3M COA 5.66502
91 4TUO SIA GAL SIA GLC NGA 5.90909
92 4GID 0GH 5.92783
93 5MZY 8EZ 6.04839
94 3GRU AMP 6.1017
95 4QMN DB8 6.12903
96 5FP4 YC8 6.28743
97 6CC0 EWM 6.32911
98 2VWT PYR 6.36704
99 5A89 ADP 6.41026
100 5A89 FMN 6.41026
101 3AWJ COA 6.46766
102 4XDA ADP 6.47249
103 5K4W THR 6.54206
104 5GM9 CBK 6.57277
105 6AIX A3P 6.61376
106 1X1Z BMP 6.74603
107 1VBH PEP 6.79245
108 3ZW2 GAL FUC 6.89655
109 3ZW2 NAG GAL FUC 6.89655
110 3ZW2 GLA NAG GAL FUC 6.89655
111 5A3T MMK 7.06861
112 1LOR BMP 7.45614
113 1AX2 NDG GAL 7.53138
114 2XN2 GLA 8.30189
115 3UWV 2PG 9.1954
116 2YAJ 4HP 9.30233
117 4L9Z COA 9.43953
118 4L9Z OXL 9.43953
119 4E5N NAD 9.69697
120 3GFS FMN 9.77011
121 3T7V MD0 10.2857
122 1HYE NAP 10.5431
123 1IZC PYR 10.6195
124 5YVT NAI 10.6195
125 1FFU CDP 11.0429
126 2V5K OXM 11.4983
127 2Q8Z NUP 12.8655
128 4B5W PYR 12.8906
129 2VAP GDP 17.3077
130 1M5W DXP 17.6955
131 5UR1 YY9 18.9711
132 5UKL SIX 19.3548
133 4I7E PEP 20.3762
134 2FR6 CTN 33.5616
Pocket No.: 5; Query (leader) PDB : 2G50; Ligand: PYR; Similar sites found with APoc: 75
This union binding pocket(no: 5) in the query (biounit: 2g50.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 1UH4 GLC GLC GLC GLC GLC 1.13208
2 3A23 GAL 1.50943
3 2YFO GLA 1.69811
4 2YFO GAL 1.69811
5 1ZGS XMM 1.78971
6 4OUE IPT 1.91898
7 3CXO 3LR 1.92771
8 4RW3 IPD 1.98676
9 2C5S AMP 2.17918
10 4UTU LRY 2.18341
11 4UTW RFW 2.18341
12 2QJN KDG 2.45283
13 1PDZ PGA 2.53456
14 3TFC PEP 2.5974
15 1O5Q PYR 2.62295
16 5JZJ AN2 2.6936
17 5UZ8 GSH 2.69461
18 1U08 PLP 2.84974
19 1OFZ FUL 2.88462
20 6C4A PYR 2.94118
21 1IGW PYR 2.99539
22 1QCI ADE 3.05344
23 3NZ1 3NY 3.06513
24 4NAE 1GP 3.11111
25 2QPU QPU 3.20988
26 1OYF MHN 3.30579
27 4IMO PWZ 3.40909
28 3BLI PYR 3.56083
29 1SR9 KIV 3.58491
30 4OCT AKG 3.6036
31 4FFG 0U8 3.65854
32 5YBL AKG 3.82166
33 2QCD U5P 3.84615
34 4D4U FUC NDG GAL FUC 4.12698
35 4D4U FUC GAL 4.12698
36 5X7Q ACR 4.15094
37 5X7Q GLC GLC 4.15094
38 2OG2 MLI 4.17827
39 3U6W KIV 4.44965
40 4IV9 TSR 4.5283
41 2Z48 A2G 5.09259
42 5F6U 5VK 5.09554
43 5OF1 SAL 5.2381
44 1BYG STU 5.39568
45 1VDN ACE ALA ALA PRO ALA MCM 5.55556
46 2WSI FAD 5.55556
47 4YEF 4CQ 5.61798
48 1O68 KIV 5.81818
49 4I9A NCN 5.90278
50 5NC1 NAG 5.90717
51 4CNO 9PY 5.95238
52 1M3U KPL 6.06061
53 5NBW 8SK 6.07477
54 1UJP CIT 6.27306
55 3UXL CFI 6.52742
56 1CT9 AMP 6.79245
57 5M42 FMN 7.16846
58 4C1K PEP 7.63359
59 1C5C TK4 7.94393
60 1K7U NAG NAG 8.06452
61 1K7T NAG GAL 8.06452
62 1JCM 137 8.10811
63 2ZE3 AKG 8.36364
64 5FYR INS 8.72483
65 3AXM 6PG 9.30233
66 5XQW 8EU 9.67742
67 4M1U A2G MBG 10
68 5YRV 5AD 10
69 5TVM PUT 12.9412
70 3FYP PEP 13.2143
71 5M0T AKG 13.6054
72 3AXK NDP 17.0543
73 1VKF CIT 18.617
74 2DUA OXL 18.6207
75 4U36 TNR 20.4167
Pocket No.: 6; Query (leader) PDB : 2G50; Ligand: PYR; Similar sites found with APoc: 21
This union binding pocket(no: 6) in the query (biounit: 2g50.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 5DZ2 212 2.07101
2 1Z6K OAA 2.38908
3 5B0I BOG 2.62391
4 3R1Z ALA DGL 2.63852
5 1OFZ FUC 2.88462
6 1Q8A HCS 3.20755
7 1Q6O LG6 3.7037
8 2FJK 13P 3.93443
9 4Q86 AMP 4.33962
10 4AVV CD 4.41176
11 3DGB MUC 4.97382
12 1GPM CIT 5.71429
13 1OS7 AKG 6.00707
14 4MA6 28E 6.36943
15 3M89 GSP 6.55738
16 5ZYN FMN 6.58174
17 5YSN 5AD 6.77966
18 5V8E CIT 7.11974
19 3CTR MGP 7.92079
20 6GNO XDI 9.62963
21 3A76 SPD 21.5909
Pocket No.: 7; Query (leader) PDB : 2G50; Ligand: ALA; Similar sites found with APoc: 7
This union binding pocket(no: 7) in the query (biounit: 2g50.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1YGC 905 3.54331
2 3ZNN FAD 4.89914
3 3ZNN 4WL 4.89914
4 3T31 DCQ 5.49199
5 3T31 FAD 5.49199
6 6H3O FAD 6.03774
7 1N62 FAD 10.8434
Pocket No.: 8; Query (leader) PDB : 2G50; Ligand: PYR; Similar sites found with APoc: 5
This union binding pocket(no: 8) in the query (biounit: 2g50.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 3WCS MAN NAG 2.3622
2 2HJR CIT 5.18293
3 1MEX RAC 6.97674
4 3WCZ CIT 8.44156
5 3IWD M2T 23.5294
Pocket No.: 9; Query (leader) PDB : 2G50; Ligand: PYR; Similar sites found with APoc: 35
This union binding pocket(no: 9) in the query (biounit: 2g50.bio2) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 2HXT EHM 1.5873
2 2BMB PMM 1.69811
3 6F6D AKG 1.76471
4 1GTE FMN 1.88679
5 1GTE IUR 1.88679
6 3CXO 1N5 1.92771
7 3QTP 2PG 2.04082
8 3L24 GOA 2.32108
9 4NZF ARB 2.45536
10 3R1Z ALA GLU 2.63852
11 3N75 G4P 3.01887
12 1OVD ORO 3.21543
13 1OVD FMN 3.21543
14 5E58 CPZ 3.24544
15 1Z45 GAL 3.39623
16 2Q3O FMN 3.58056
17 1U1J MET 3.77358
18 4IF4 BEF 3.84615
19 1SWG BTN 3.90625
20 3EXS 5RP 4.0724
21 1Z3V LAT 4.40835
22 3OYW TDG 4.47761
23 1SLT NDG GAL 4.47761
24 1FDJ 13P 4.95868
25 2Z48 NGA 5.09259
26 3WUD GLC GAL 5.14706
27 1PIE GLA 5.2506
28 3ANY 2A3 7.60456
29 2HK9 SKM 8.36364
30 1W6O LAT 8.95522
31 1GZW GAL BGC 8.95522
32 1B09 PC 9.2233
33 1NKI PPF 10.3704
34 1QPR PHT 13.7324
35 1EYE PMM 15.7143
Pocket No.: 10; Query (leader) PDB : 2G50; Ligand: PYR; Similar sites found with APoc: 4
This union binding pocket(no: 10) in the query (biounit: 2g50.bio2) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 1M0S CIT 2.73973
2 2EB5 OXL 2.99625
3 1WCQ DAN 3.96226
4 4LUS TCE 14.2857
Pocket No.: 11; Query (leader) PDB : 2G50; Ligand: ALA; Similar sites found with APoc: 33
This union binding pocket(no: 11) in the query (biounit: 2g50.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4ADC PLP 1.72414
2 5THY SAH 1.7284
3 2XGT NSS 1.83908
4 1GQ2 NAP 2.07547
5 4MIG G3F 2.26415
6 4KRI SAH 2.30947
7 1H74 ADP 2.36486
8 2VVL FAD 2.62626
9 1EU1 MGD 2.64151
10 3LU1 NAD 2.74725
11 5OJ7 AR6 2.7972
12 2PLK P3D 3.10263
13 1NV8 SAM 3.52113
14 6EDK 1YA 3.68664
15 3ILR SGN IXD 3.78378
16 2ZKJ ADP 4.31472
17 3MB5 SAM 4.70588
18 2BNE U5P 5.39419
19 1NAA 6FA 5.66038
20 1SB8 NAD 6.81818
21 1SB8 UD2 6.81818
22 5A5W GUO 7.50988
23 5A96 GTP 7.63052
24 1JG9 GLC 7.73585
25 5KOK SAH 7.80856
26 4UTG ANP 8.67052
27 2UUU FAD 9.43396
28 2PHN GDP 9.44882
29 4LXQ FON 9.48905
30 4LXQ TYD 9.48905
31 1EJB INJ 9.52381
32 5CUQ NSC 11.6105
33 5UKL SIX 19.3548
Pocket No.: 12; Query (leader) PDB : 2G50; Ligand: ALA; Similar sites found with APoc: 13
This union binding pocket(no: 12) in the query (biounit: 2g50.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2VVM FAD 2.62626
2 3LXD FAD 2.6506
3 5FI3 NAP 3.36134
4 3KYF 5GP 5GP 3.4632
5 3GBR PRP 3.47826
6 1NV8 MEQ 3.52113
7 2Q1W NAD 4.5045
8 3QV1 NAD 4.87805
9 1G55 SAH 6.99708
10 1OIX GDP 7.32984
11 5VM6 9EG 11.6788
12 4QED NAP 14.5161
13 1Q8V MAN MAN 23.8095
Pocket No.: 13; Query (leader) PDB : 2G50; Ligand: ALA; Similar sites found with APoc: 48
This union binding pocket(no: 13) in the query (biounit: 2g50.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 6F3M NAD 1.08696
2 5YB7 ORN 1.69811
3 5YB7 FAD 1.69811
4 3QPB R1P 1.77305
5 3WXM GTP 1.8617
6 1PN0 IPH 2.07547
7 1PN0 FAD 2.07547
8 1V7C HEY 2.2792
9 4XOQ F42 2.41546
10 4KGD FAD 2.45283
11 4KGD TDP 2.45283
12 1JN2 SFP 2.53165
13 1XTT U5P 2.77778
14 1SFF IK2 2.8169
15 1T57 FMN 2.91262
16 1PVN MZP 2.92553
17 5LAU AR6 3.36538
18 6AU6 GDP 3.44828
19 1FIW PBZ 3.7931
20 5VYR GMP 3.83142
21 5VYR B62 3.83142
22 1QO8 FAD 3.96226
23 4UZI IMD 4.26009
24 1X54 4AD 4.60829
25 2VHL GLP 4.79798
26 1WA5 GTP 5.11364
27 4WNK 453 5.28302
28 1YRB GDP 5.72519
29 2ART LPA AMP 5.72519
30 1RJ9 GCP 5.92105
31 5M6N 7H9 5.9322
32 4IXH IMP 6.09418
33 3EYA FAD 8.67924
34 4XCZ FON 9.35252
35 4XCZ T3Q 9.35252
36 5UIJ TYD 9.62963
37 4J5R A1R 13.6986
38 3AD8 NAD 14.7783
39 5L3R GCP 17.9402
40 2AR6 NAG MAN MAN MAN NAG 23.8095
41 1Q8P MAN MMA 23.8095
42 2PHT MAN MAN MAN 23.8095
43 2PHF MAN MAN BMA MAN 23.8095
44 2PHR MAN MAN BMA MAN 23.8095
45 2PHT MAN MAN MAN BMA MAN 23.8095
46 2AUY NAG MAN MMA 23.8095
47 1Q8O MAN MMA 23.8095
48 2GND MAN 23.8095
Pocket No.: 14; Query (leader) PDB : 2G50; Ligand: PYR; Similar sites found with APoc: 12
This union binding pocket(no: 14) in the query (biounit: 2g50.bio2) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 2O1O RIS 3.53261
2 4TX6 38B 3.87097
3 3WSG CIT 3.96825
4 2QES ADE 4.21456
5 3NNF AKG 4.33962
6 5K21 6QF 5.67376
7 1WPQ 13P 6.87679
8 4ZXA H8N 7.7381
9 1J2Z SOG 8.14815
10 2NZU BG6 12.5
11 4YEE 4CQ 14.4444
12 5W3X ACO 17.5
Pocket No.: 15; Query (leader) PDB : 2G50; Ligand: ALA; Similar sites found with APoc: 1
This union binding pocket(no: 15) in the query (biounit: 2g50.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2BWN SIN 6.23441
Pocket No.: 16; Query (leader) PDB : 2G50; Ligand: PYR; Similar sites found with APoc: 121
This union binding pocket(no: 16) in the query (biounit: 2g50.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 4AT0 FAD 1.17647
2 3EWC MCF 1.34771
3 4JNA FAD 1.47059
4 6CBO DOW 1.59453
5 1TB4 PEJ 1.61725
6 5U61 7WG 1.7301
7 3MF2 AMP 1.7341
8 4JD3 COA 1.983
9 4JD3 PLM 1.983
10 1PIG AGL GLC HMC AGL GLC BGC 2.01613
11 4EI7 GDP 2.05656
12 3GE7 AFQ 2.07254
13 4RFM 3P6 2.25564
14 5E3Q SCA 2.31788
15 3OIX FMN 2.31884
16 4OTH DRN 2.34604
17 2WU6 DKI 2.3622
18 1V0O INR 2.43056
19 4NMC 2OP 2.45283
20 4NMC FAD 2.45283
21 5W70 9YM 2.47191
22 1IA9 ANP 2.5
23 4QIJ 1HA 2.69461
24 2X32 OTP 2.7933
25 4S3F 43W 2.95567
26 3S5Y DGJ 3.01508
27 1XRO LEU 3.07167
28 1HXD BTN 3.11526
29 1UPF URF 3.125
30 1LUA NAP 3.13589
31 1B8O IMH 3.16901
32 5WNL STU 3.21637
33 3E5A VX6 3.35821
34 3B1Q NOS 3.37423
35 3QVV 3QV 3.38983
36 2BPM 529 3.39623
37 3SUD SUE 3.44828
38 2VHA GLU 3.48432
39 1AJ0 PH2 3.5461
40 1AJ0 SAN 3.5461
41 3DLS ADP 3.58209
42 2G37 FAD 3.58491
43 3TXO 07U 3.68272
44 4GA6 AMP 3.7037
45 5UFF 8B7 3.7037
46 1R6W 164 3.72671
47 6E2O S0L 3.72881
48 2Z7R STU 3.73832
49 4UX9 ANP 3.84615
50 3HBN UDP 3.90071
51 4WB7 ATP 3.95062
52 4DQ2 BTX 3.96341
53 3VRY B43 3.96476
54 6GUE FB8 3.97351
55 4BCN T9N 4
56 1WB4 SXX 4.0404
57 1XJD STU 4.05797
58 2Y5S 78H 4.08163
59 4D4U FUC GAL NDG FUC 4.12698
60 3PE2 E1B 4.45104
61 4C2V YJA 4.5614
62 4QDF 30Q 4.61538
63 2PI8 NAG NAG NAG NAG NAG NAG 4.63768
64 3O0Q TTP 4.71698
65 3O0Q GDP 4.71698
66 3O0Q ADN 4.71698
67 3EFS BTN 4.72103
68 5XFV FMN 4.79042
69 1V1A ADP 4.85437
70 5KF6 TFB 4.90566
71 5KF6 FAD 4.90566
72 4PNI KQQ 4.90566
73 1ERB ETR 4.91803
74 1NJR XYL 4.92958
75 4R5M 4NO 5.31915
76 4X7Q 3YR 5.44872
77 1VJY 460 5.61056
78 5UBG PRT 5.75221
79 3E2M E2M 5.94595
80 2CYE COA 6.01504
81 2R75 01G 6.21302
82 1XAJ NAD 6.21469
83 1XAJ CRB 6.21469
84 4O8A FAD 6.41509
85 1TIW FAD 6.41509
86 1TIW TFB 6.41509
87 6F4W FMC 6.43777
88 4UBT 3G6 6.51629
89 5DMZ ADP 6.57534
90 3MVH WFE 6.72515
91 5EYK 5U5 6.77966
92 3KAP FMN 6.80272
93 4WZH FMN 6.91643
94 3MJY IJZ 7.22543
95 3MJY FMN 7.22543
96 3RI1 3RH 7.34824
97 2ZUX RAM 7.35849
98 1MZV AMP 7.65957
99 4H6Q TFB 7.69231
100 4H6Q FAD 7.69231
101 2F2U M77 7.9602
102 2JFZ 003 8.23529
103 2JFZ DGL 8.23529
104 3C3N FMN 8.33333
105 2WQP WQP 8.59599
106 1U7Z PMT 8.84956
107 3O0G 3O0 9.39597
108 2WZV FMN 9.78723
109 4JEJ 1GP 9.83607
110 4WNP 3RJ 10.1045
111 5LYR MAN MNM 10.1299
112 1JE1 GMP 10.1695
113 4MNS 2AX 10.6918
114 2QV6 GTP 13.0597
115 3CF6 SP1 13.7725
116 3E85 BSU 13.9241
117 3DZ6 M8E 14.9254
118 5O3Q CMP 18.3333
119 1V3S ATP 19.8276
120 4H2V AMP 27.2727
121 1TU3 GNP 31.6456
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